Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | BLM | P54132 | 1/20 | 0.30 |
| ▸ | HBB | P68871 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.30 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL9765086 | 0.78 | ALDH1A1 (0.38) | ALDH1A1TSHRTDP1 | |
| SCHEMBL4759063 | 0.76 | ALDH1A1 (0.39) | ALDH1A1TSHRTDP1LMNAMEN1 | |
| SCHEMBL14726613 | 0.76 | TSHR (0.41) | ALDH1A1TSHRTHRBATMLMNA | |
| SCHEMBL1147490 | 0.71 | ATM (0.31) | ALDH1A1TSHRTHRBATM | |
| SCHEMBL5666168 | 0.71 | THRB (0.50) | THRBLMNA | |
| SCHEMBL12341097 | 0.69 | ALDH1A1 (0.46) | ALDH1A1TSHRTDP1LMNAMEN1 | |
| SCHEMBL24316915 | 0.68 | MAPT (0.47) | ALDH1A1TSHRTDP1LMNAMEN1 | |
| SCHEMBL2777222 | 0.68 | ALDH1A1 (0.36) | ALDH1A1TSHRTHRBATMLMNA | |
| SCHEMBL9452677 | 0.68 | ALDH1A1 (0.41) | ALDH1A1TSHRTDP1LMNAMEN1 | |
| Nitric Acid SCHEMBL9441405 | 0.67 | EPHX1 (0.34) | ALDH1A1TSHRATM |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113563306-B | Preparation method of 2- (4-phenoxyphenyl) -6- (piperidine-4-) nicotinamide | 新发药业有限公司 | 2022-07-01 | — | — | CN | disclosed |
| CN-113563306-A | Preparation method of 2- (4-phenoxyphenyl) -6- (piperidine-4-) nicotinamide | 新发药业有限公司 | 2021-10-29 | — | — | CN | disclosed |